SCHEMBL10293264

SCHEMBL10293264

CCc1nc2c(cc1NC(=O)c1ccccc1)c(OC(C)C)c(C(=O)NCc1ccccc1)n2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 1/20 0.43
▸ ITGA4 P13612 1/20 0.42
▸ ITGB7 P26010 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HDAC1 Q13547 8/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ TP53 P04637 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10292949 0.95 NAMPT (0.42) BRPF1ITGA4ITGB7KDM4EHDAC1
SCHEMBL10292588 0.92 BRPF1 (0.45) BRPF1KDM4EL3MBTL1HDAC1HDAC8
SCHEMBL10292589 0.91 TP53 (0.42) BRPF1KDM4EHDAC1BRD4TP53
SCHEMBL10004164 0.89 BRPF1 (0.47) BRPF1KDM4EHDAC1HDAC8HDAC6
SCHEMBL10292511 0.89 BRPF1 (0.42) BRPF1KDM4EHDAC1HDAC8HDAC6
SCHEMBL10292619 0.89 BRPF1 (0.42) BRPF1KDM4EHDAC1HDAC8HDAC6
SCHEMBL10293272 0.89 BRPF1 (0.42) BRPF1KDM4EHDAC1HDAC8HDAC6
SCHEMBL10292946 0.89 BRPF1 (0.42) BRPF1KDM4EHDAC1HDAC8HDAC6
SCHEMBL10293045 0.88 HPGD (0.46) BRPF1KDM4ETP53LMNAMAPT
SCHEMBL10292587 0.88 KDM4E (0.46) KDM4EL3MBTL1HDAC1LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH BRPF1 1937/4885ITGA4 4510/4885ITGB7 3816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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